[3,4-Diacetyloxy-5-hydroxy-6-[4-hydroxy-5-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trienyl)phenoxy]oxan-2-yl]methyl acetate
| Internal ID | f02ff74f-6a03-446b-9901-01635fe29af4 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [3,4-diacetyloxy-5-hydroxy-6-[4-hydroxy-5-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trienyl)phenoxy]oxan-2-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H48O10/c1-20(2)11-9-12-21(3)13-10-14-22(4)15-16-27-18-28(38)23(5)17-29(27)43-34-31(39)33(42-26(8)37)32(41-25(7)36)30(44-34)19-40-24(6)35/h11,13,15,17-18,30-34,38-39H,9-10,12,14,16,19H2,1-8H3 |
| InChI Key | JGGKZCLDIKXHKD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H48O10 |
| Molecular Weight | 616.70 g/mol |
| Exact Mass | 616.32474772 g/mol |
| Topological Polar Surface Area (TPSA) | 138.00 Ų |
| XlogP | 6.60 |
| There are no found synonyms. |
![2D Structure of [3,4-Diacetyloxy-5-hydroxy-6-[4-hydroxy-5-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trienyl)phenoxy]oxan-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/b4446220-8741-11ee-b9e2-e7338eb080dc.jpg "2D Structure of [3,4-Diacetyloxy-5-hydroxy-6-[4-hydroxy-5-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trienyl)phenoxy]oxan-2-yl]methyl acetate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.33% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 97.37% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.59% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.38% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.22% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.76% | 92.08% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.49% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.83% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.60% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.56% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.44% | 86.33% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 83.77% | 82.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.33% | 91.19% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.27% | 91.49% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.91% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.71% | 94.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.80% | 97.36% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.78% | 92.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.56% | 95.56% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.53% | 94.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.18% | 85.14% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73836747 |
| LOTUS | LTS0127522 |
| wikiData | Q105127335 |